856419-93-7
3-FURANCARBOXYLIC ACID, 5-[(1,1-DIMETHYLETHYL)[2-[(1,1-DIMETHYLETHYL)AMINO]ETHYL]AMINO]-2,4-DIPHENYL-, METHYL ESTER
Name3-FURANCARBOXYLIC ACID, 5-[(1,1-DIMETHYLETHYL)[2-[(1,1-DIMETHYLETHYL)AMINO]ETHYL]AMINO]-2,4-DIPHENYL-, METHYL ESTER
1Identification
【Name】
3-FURANCARBOXYLIC ACID, 5-[(1,1-DIMETHYLETHYL)[2-[(1,1-DIMETHYLETHYL)AMINO]ETHYL]AMINO]-2,4-DIPHENYL-, METHYL ESTER
【CAS】
【MDL】
MFCD16878158
【English Synonyms】
【Formula】
C28 H36 N2 O3
【MolWeight】
448.603
【Inchi】
InChI=1S/C28H36N2O3/c1-27(2,3)29-18-19-30(28(4,5)6)25-22(20-14-10-8-11-15-20)23(26(31)32-7)24(33-25)21-16-12-9-13-17-21/h8-17,29H,18-19H2,1-7H3
【InChIKey】
InChIKey=FWLWVPJHKFRURP-UHFFFAOYSA-N
【SMILES】
CC(C)(C)NCCN(c1c(c(c(o1)c2ccccc2)C(=O)OC)c3ccccc3)C(C)(C)C
【MOL File】
3-FURANCARBOXYLIC AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-FURANCARBOXYLIC ACID, 5-[(1,1-DIMETHYLETHYL)[2-[(1,1-DIMETHYLETHYL)AMINO]ETHYL]AMINO]-2,4-DIPHENYL-, METHYL ESTER.cml